| Code |
Monomeric form |
Dimer |
SMILES |
Monomeric form bond atoms |
Monomeric form displaced atoms |
Left bond atoms |
Left displaced atoms |
Right bond atoms |
Right displaced atoms |
| A |
|
|
Nc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 |
O11 |
H11 |
O13 |
H13 |
|
|
| C |
|
|
Nc1nc(=O)n(cc1)C1OC(CO)C(O)C1O |
O13 |
H13 |
O15 |
H15 |
|
|
| G |
|
|
Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
O13 |
H13 |
O15 |
H15 |
|
|
| U |
|
|
OCC1OC(C(O)C1O)n1ccc(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 01A |
|
|
COC1C(O)C(CO)OC1n1cnc2c1ncn(C)c2=N |
O8 |
H8 |
O5 |
H5 |
|
|
| 01G |
|
|
COC1C(O)C(CO)OC1n1cnc2c1nc(N)n(C)c2=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 019A |
|
|
COC1C(O)C(CO)OC1n1cnc2c1ncn(C)c2=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 1309U |
|
|
Cn1cc(C2OC(CO)C(O)C2O)c(=O)n(CCC([NH3+])C(=O)[O-])c1=O |
O9 |
H9 |
O11 |
H11 |
|
|
| 1A |
|
|
Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=N |
O14 |
H14 |
O16 |
H16 |
|
|
| 1G |
|
|
Cn1c(N)nc2c(ncn2C2OC(CO)C(O)C2O)c1=O |
O15 |
H15 |
O17 |
H17 |
|
|
| 19A |
|
|
Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O |
O14 |
H14 |
O16 |
H16 |
|
|
| 19U |
|
|
Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O |
O14 |
H14 |
O16 |
H16 |
|
|
| 28A |
|
|
Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O |
O14 |
H14 |
O16 |
H16 |
|
|
| msms2i6A |
|
|
CSCSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1 |
O24 |
H24 |
O26 |
H26 |
|
|
| 21U |
|
|
CSCSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1 |
O24 |
H24 |
O26 |
H26 |
|
|
| 21C |
|
|
[NH3+]C(CCCCNC1NC(=[NH2+])C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O)C(=O)[O-] |
O26 |
H26 |
O29 |
H29 |
|
|
| 2A |
|
|
Cc1nc(N)c2ncn(C3OC(CO)C(O)C3O)c2n1 |
O14 |
H14 |
O16 |
H16 |
|
|
| 2164A |
|
|
CSc1nc(C2C(=O)N[C@@H]([C@@H](C)O)C2=O)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1 |
O28 |
H28 |
O30 |
H30 |
|
|
| 2160A |
|
|
CSc1nc(NCC=C(C)CO)c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2n1 |
O23 |
H23 |
O26 |
H26 |
|
|
| 2163A |
|
|
CCC(O)C(NC(=O)Nc1nc(SC)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O)C(=O)[O-] |
O27 |
H27 |
O30 |
H30 |
|
|
| 2161A |
|
|
CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2n1 |
O22 |
H22 |
O25 |
H25 |
|
|
| 621A |
|
|
CNc1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2nc(SC)n1 |
O14 |
H14 |
O17 |
H17 |
|
|
| 2162A |
|
|
CSc1nc(NC(=O)NC(C(C)O)C(=O)[O-])c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2n1 |
O27 |
H27 |
O30 |
H30 |
|
|
| 20U |
|
|
OCC1OC(C(O)C1O)n1ccc(=O)[nH]c1=[Se] |
O1 |
H1 |
O9 |
H9 |
|
|
| 02U |
|
|
COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=S |
O8 |
H8 |
O5 |
H5 |
|
|
| 2C |
|
|
COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=S |
O8 |
H8 |
O5 |
H5 |
|
|
| 2U |
|
|
COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=S |
O8 |
H8 |
O5 |
H5 |
|
|
| 0A |
|
|
COC1C(O)C(CO)OC1n1cnc2c(N)ncnc12 |
O8 |
H8 |
O5 |
H5 |
|
|
| 0C |
|
|
COC1C(O)C(CO)OC1n1ccc(N)nc1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 0G |
|
|
COC1C(O)C(CO)OC1n1cnc2c1nc(N)[nH]c2=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 09A |
|
|
COC1C(O)C(CO)OC1n1cnc2c1nc[nH]c2=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 09U |
|
|
COC1C(O)C(CO)OC1c1c[nH]c(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 0U |
|
|
COC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 0503U |
|
|
COC1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(OCC(=O)OC)c(=O)[nH]c1=O |
O10 |
H10 |
O6 |
H6 |
|
|
| 03U |
|
|
COC1[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)n(C)c1=O |
O10 |
H10 |
O6 |
H6 |
|
|
| 308U |
|
|
[NH3+]C(CCN1C(=O)CCN(C2OC(CO)C(O)C2O)C1=O)C(=O)[O-] |
O18 |
H18 |
O20 |
H20 |
|
|
| 309U |
|
|
[NH3+]C(CCN1C(=O)CCN(C2OC(CO)C(O)C2O)C1=O)C(=O)[O-] |
O18 |
H18 |
O20 |
H20 |
|
|
| 30U |
|
|
[NH3+]C(CCN1C(=O)CCN(C2OC(CO)C(O)C2O)C1=O)C(=O)[O-] |
O18 |
H18 |
O20 |
H20 |
|
|
| 3C |
|
|
C[n+]1c(N)ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c1=O |
O14 |
H14 |
O17 |
H17 |
|
|
| 39U |
|
|
Cn1c(=O)[nH]cc(C2OC(CO)C(O)C2O)c1=O |
O12 |
H12 |
O14 |
H14 |
|
|
| 3U |
|
|
Cn1c(=O)ccn(C2OC(CO)C(O)C2O)c1=O |
O12 |
H12 |
O14 |
H14 |
|
|
| 4G |
|
|
Cc1cn2c([nH]c3c(ncn3C3OC(CO)C(O)C3O)c2=O)n1 |
O16 |
H16 |
O18 |
H18 |
|
|
| 74U |
|
|
OCC1OC(C(O)C1O)n1ccc(=S)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 05C |
|
|
COC1C(O)C(CO)OC1n1cc(C)c(N)nc1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 05U |
|
|
COC1C(O)C(CO)OC1n1cc(C)c(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 0522U |
|
|
COC1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(C(O)C(=O)OC)c(=O)[nH]c1=O |
O10 |
H10 |
O6 |
H6 |
|
|
| 522U |
|
|
COC(=O)C(O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O14 |
H14 |
O16 |
H16 |
|
|
| 2583U |
|
|
CC(=CC[NH2+]Cc1cn(C2OC(CO)C(O)C2O)c(=S)[nH]c1=O)C |
O17 |
H17 |
O19 |
H19 |
|
|
| 0583U |
|
|
COC1C(O)C(CO)OC1n1cc(C[NH2+]CC=C(C)C)c(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 583U |
|
|
CC(=CC[NH2+]Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)C |
O17 |
H17 |
O19 |
H19 |
|
|
| 21510U |
|
|
CC(=CCCC(=CCSc1nc(=O)c(C[NH3+])cn1[C@@H]1O[C@H](CO)[C@H](O)C1O)C)C |
O30 |
H30 |
O33 |
H33 |
|
|
| 20510U |
|
|
[NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=[Se])[nH]c1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 2510U |
|
|
[NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 510U |
|
|
[NH3+]Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O13 |
H13 |
O15 |
H15 |
|
|
| 531U |
|
|
NC(=O)C(O)c1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 253U |
|
|
NC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O |
O14 |
H14 |
O17 |
H17 |
|
|
| 053U |
|
|
COC1C(O)C(CO)OC1n1cc(CC(=O)N)c(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 53U |
|
|
NC(=O)Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O12 |
H12 |
O14 |
H14 |
|
|
| 520U |
|
|
OCC1OC(C(O)C1O)n1cc(C(O)C(=O)[O-])c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 2540U |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(CC(=O)[O-])c(=O)[nH]c1=S |
O1 |
H1 |
O12 |
H12 |
|
|
| 2151U |
|
|
CC(=CCCC(=CCSc1nc(=O)c(C[NH2+]CC(=O)[O-])cn1[C@@H]1O[C@H](CO)[C@H](O)C1O)C)C |
O33 |
H33 |
O36 |
H36 |
|
|
| 2051U |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=[Se] |
O1 |
H1 |
O12 |
H12 |
|
|
| 251U |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=S |
O1 |
H1 |
O12 |
H12 |
|
|
| 051U |
|
|
COC1C(O)C(CO)OC1n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 51U |
|
|
OCC1OC(C(O)C1O)n1cc(C[NH2+]CC(=O)[O-])c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 52U |
|
|
OCC1OC(C(O)C1O)n1cc(CC(=O)[O-])c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 55U |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(CC#N)c(=O)[nH]c1=O |
O1 |
H1 |
O12 |
H12 |
|
|
| 071C |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(CC#N)c(=O)[nH]c1=O |
O1 |
H1 |
O12 |
H12 |
|
|
| 71C |
|
|
Nc1nc(=O)n(cc1C=O)C1OC(CO)C(O)C1O |
O15 |
H15 |
O17 |
H17 |
|
|
| 50C |
|
|
Nc1nc(=O)n(cc1O)C1OC(CO)C(O)C1O |
O14 |
H14 |
O16 |
H16 |
|
|
| 51C |
|
|
Nc1nc(=O)n(cc1CO)C1OC(CO)C(O)C1O |
O15 |
H15 |
O17 |
H17 |
|
|
| 50U |
|
|
OCC1OC(C(O)C1O)n1cc(O)c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 2521U |
|
|
COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 0521U |
|
|
COC1C(O)C(CO)OC1n1cc(CC(=O)OC)c(=O)[nH]c1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 521U |
|
|
COC(=O)Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O13 |
H13 |
O15 |
H15 |
|
|
| 501U |
|
|
COc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O10 |
H10 |
O12 |
H12 |
|
|
| 25U |
|
|
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O |
O11 |
H11 |
O14 |
H14 |
|
|
| 21511U |
|
|
C[NH2+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(SCC=C(C)CCC=C(C)C)nc1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 20511U |
|
|
C[NH2+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=[Se])[nH]c1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 2511U |
|
|
C[NH2+]Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=S)[nH]c1=O |
O15 |
H15 |
O18 |
H18 |
|
|
| 511U |
|
|
C[NH2+]Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O13 |
H13 |
O15 |
H15 |
|
|
| 5C |
|
|
Cc1cn(C2OC(CO)C(O)C2O)c(=O)nc1N |
O9 |
H9 |
O11 |
H11 |
|
|
| 58U |
|
|
CC1CN(C2OC(CO)C(O)C2O)C(=O)NC1=O |
O9 |
H9 |
O11 |
H11 |
|
|
| 5U |
|
|
Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O9 |
H9 |
O11 |
H11 |
|
|
| 254U |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(C[NH2+]CCS(=O)(=O)[O-])c(=O)[nH]c1=S |
O1 |
H1 |
O12 |
H12 |
|
|
| 54U |
|
|
OCC1OC(C(O)C1O)n1cc(C[NH2+]CCS(=O)(=O)[O-])c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 47G |
|
|
Cc1c(CCC([NH3+])C(=O)[O-])n2c([nH]c3c(ncn3[C@@H]3O[C@H](CO)[C@H](O)C3O)c2=O)n1 |
O28 |
H28 |
O31 |
H31 |
|
|
| 347G |
|
|
Cn1c2nc(C)c(CCC([NH3+])C(=O)[O-])n2c(=O)c2c1n(cn2)[C@@H]1O[C@H](CO)[C@H](O)C1O |
O32 |
H32 |
O35 |
H35 |
|
|
| 348G |
|
|
COC(=O)C([NH3+])CCc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C |
O31 |
H31 |
O34 |
H34 |
|
|
| 101G |
|
|
Nc1nc2c(c(C[NH3+])cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1 |
O20 |
H20 |
O23 |
H23 |
|
|
| 100G |
|
|
Nc1nc2c(c(cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)C#N)c(=O)[nH]1 |
O15 |
H15 |
O18 |
H18 |
|
|
| 7G |
|
|
C[n+]1cn([C@H]2O[C@@H](CO)[C@@H](O)C2O)c2c1C(O)N=C(N)N2 |
O11 |
H11 |
O14 |
H14 |
|
|
| 8A |
|
|
Cc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1O |
O16 |
H16 |
O18 |
H18 |
|
|
| 02G |
|
|
CNc1nc2c(ncn2C2OC(CO)C(O)C2OC)c(=O)[nH]1 |
O14 |
H14 |
O16 |
H16 |
|
|
| 027G |
|
|
CNC1=NC(O)c2c(N1)n(c[n+]2C)[C@H]1O[C@@H](CO)[C@@H](O)C1OC |
O20 |
H20 |
O23 |
H23 |
|
|
| 27G |
|
|
CNC1=NC(O)c2c(N1)n(c[n+]2C)[C@H]1O[C@@H](CO)[C@@H](O)C1O |
O20 |
H20 |
O23 |
H23 |
|
|
| 022G |
|
|
COC1C(O)C(CO)OC1n1cnc2c1nc([nH]c2=O)N(C)C |
O8 |
H8 |
O5 |
H5 |
|
|
| 227G |
|
|
CN(C)C1=NC(O)c2c(N1)n(c[n+]2C)[C@H]1O[C@@H](CO)[C@@H](O)C1O |
O21 |
H21 |
O24 |
H24 |
|
|
| 22G |
|
|
CN(C)c1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
O15 |
H15 |
O17 |
H17 |
|
|
| 2G |
|
|
CNc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
O14 |
H14 |
O16 |
H16 |
|
|
| 04C |
|
|
CNc1nc(=O)n(cc1)C1OC(CO)C(O)C1OC |
O14 |
H14 |
O16 |
H16 |
|
|
| 044C |
|
|
COC1C(O)C(CO)OC1n1ccc(nc1=O)N(C)C |
O8 |
H8 |
O5 |
H5 |
|
|
| 44C |
|
|
CN(C)c1nc(=O)n(cc1)C1OC(CO)C(O)C1O |
O15 |
H15 |
O17 |
H17 |
|
|
| 042C |
|
|
COC1C(O)C(CO)OC1n1ccc(NC(=O)C)nc1=O |
O8 |
H8 |
O5 |
H5 |
|
|
| 42C |
|
|
CC(=O)Nc1nc(=O)n(cc1)C1OC(CO)C(O)C1O |
O16 |
H16 |
O18 |
H18 |
|
|
| 4C |
|
|
CNc1nc(=O)n(cc1)C1OC(CO)C(O)C1O |
O14 |
H14 |
O16 |
H16 |
|
|
| 06A |
|
|
CNc1c2ncn(C3OC(CO)C(O)C3OC)c2ncn1 |
O12 |
H12 |
O14 |
H14 |
|
|
| 066A |
|
|
COC1C(O)C(CO)OC1n1cnc2c(ncnc12)N(C)C |
O8 |
H8 |
O5 |
H5 |
|
|
| 66A |
|
|
CN(C)c1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 |
O13 |
H13 |
O15 |
H15 |
|
|
| 60A |
|
|
CC(=CCNc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1)CO |
O17 |
H17 |
O19 |
H19 |
|
|
| 64A |
|
|
CC(=O)Nc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 |
O14 |
H14 |
O16 |
H16 |
|
|
| 67A |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cnc2c(NC=O)ncnc12 |
O1 |
H1 |
O12 |
H12 |
|
|
| 65A |
|
|
OC[C@H]1O[C@H](C(O)[C@H]1O)n1cnc2c(NC(=O)NCC(=O)[O-])ncnc12 |
O1 |
H1 |
O12 |
H12 |
|
|
| 68A |
|
|
OCNc1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2ncn1 |
O15 |
H15 |
O18 |
H18 |
|
|
| 63A |
|
|
CCC(O)C(NC(=O)Nc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1)C(=O)[O-] |
O19 |
H19 |
O21 |
H21 |
|
|
| 61A |
|
|
CC(=CCNc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1)C |
O16 |
H16 |
O18 |
H18 |
|
|
| 662A |
|
|
CC(O)C(NC(=O)N(C)c1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2ncn1)C(=O)[O-] |
O21 |
H21 |
O24 |
H24 |
|
|
| 6A |
|
|
CNc1c2ncn(C3OC(CO)C(O)C3O)c2ncn1 |
O12 |
H12 |
O14 |
H14 |
|
|
| 62A |
|
|
CC(O)C(N)C(=O)NC(=O)Nc1c2ncn([C@@H]3O[C@H](CO)[C@H](O)C3O)c2ncn1 |
O23 |
H23 |
O26 |
H26 |
|
|
| 20C |
|
|
NC(=[NH2+])NCCCCNc1[nH+]c(=N)ccn1C1OC(CO)C(O)C1O |
O24 |
H24 |
O26 |
H26 |
|
|
| 103G |
|
|
NC(=[NH2+])c1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c2c1c(=O)[nH]c(N)n2 |
O15 |
H15 |
O18 |
H18 |
|
|
| 69A |
|
|
CC(O)C1N=C(Nc2c3ncn([C@@H]4O[C@H](CO)[C@H](O)C4O)c3ncn2)OC1=O |
O19 |
H19 |
O22 |
H22 |
|
|
| 8U |
|
|
OCC1OC(C(O)C1O)N1CCC(=O)NC1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 102G |
|
|
Nc1nc2c(c(CNC3C4OC4C(O)C3O)cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1 |
O25 |
H25 |
O28 |
H28 |
|
|
| 104G |
|
|
Nc1nc2c(c(CNC3C=CC(O)C3O[C@@H]3OC(CO)[C@H](O)[C@@H](O)C3O)cn2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1 |
O38 |
H38 |
O40 |
H40 |
|
|
| 2165A |
|
|
OCC(O)C(NC(=O)Nc1c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2ncn1)C(=O)[O-] |
O21 |
H21 |
O23 |
H23 |
|
|
| 34830G |
|
|
COC(=O)NC(C(O)Cc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C)C(=O)OC |
O29 |
H29 |
O32 |
H32 |
|
|
| 9A |
|
|
OCC1OC(C(O)C1O)n1cnc2c1nc[nH]c2=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 42G |
|
|
Cc1c(C)n2c([nH]c3c(ncn3C3OC(CO)C(O)C3O)c2=O)n1 |
O17 |
H17 |
O19 |
H19 |
|
|
| 106G |
|
|
Nc1nc2c(c(CNC3C=CC(O)C3O[C@@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)cn2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1 |
O38 |
H38 |
O40 |
H40 |
|
|
| 3480G |
|
|
COC(=O)C(N)C(O)Cc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C |
O29 |
H29 |
O32 |
H32 |
|
|
| 342G |
|
|
Cn1c2nc(C)c(C)n2c(=O)c2c1n(cn2)C1OC(CO)C(O)C1O |
O21 |
H21 |
O23 |
H23 |
|
|
| 34832G |
|
|
COC(=O)NC(C(Cc1c(C)nc2n1c(=O)c1c(n(cn1)[C@@H]1O[C@H](CO)[C@H](O)C1O)n2C)OO)C(=O)OC |
O28 |
H28 |
O31 |
H31 |
|
|
| 9U |
|
|
OCC1OC(C(O)C1O)c1c[nH]c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 10G |
|
|
Nc1nc2c(c(CNC3C=CC(O)C3O)cn2[C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]1 |
O24 |
H24 |
O27 |
H27 |
|
|
| 3470G |
|
|
Cn1c2nc(C)c(CC(O)C([NH3+])C(=O)[O-])n2c(=O)c2c1n(cn2)[C@@H]1O[C@H](CO)[C@H](O)C1O |
O33 |
H33 |
O36 |
H36 |
|
|
| 502U |
|
|
OCC1OC(C(O)C1O)n1cc(OCC(=O)[O-])c(=O)[nH]c1=O |
O1 |
H1 |
O9 |
H9 |
|
|
| 503U |
|
|
COC(=O)COc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O |
O14 |
H14 |
O16 |
H16 |
|
|
| 3483G |
|
|
COC(=O)NC(CCc1c(C)nc2n1c(=O)c1c(n(cn1)C1OC(CO)C(O)C1O)n2C)C(=O)OC |
O26 |
H26 |
O28 |
H28 |
|
|
| 34G |
|
|
Cn1c2nc(C)cn2c(=O)c2c1n(cn2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
O22 |
H22 |
O25 |
H25 |
|
|